| Properties | Image |
|---|
| MNX_ID | MNXM1388822 |
 |
| reference | chebi:206855 |
| formula | C50H70N8O8 |
| global charge | 0 |
| mol weight | 911.158 |
| InChIKey | HXZHQSBZXQKEMC-HBGYEDQKSA-N |
| InChI | InChI=1S/C50H70N8O8/c1-7-32(6)42-50(66)57-25-15-22-39(57)46(62)51-35(28-33-17-10-8-11-18-33)43(59)54-41(31(4)5)47(63)53-37(27-30(2)3)48(64)58-26-16-23-40(58)49(65)56-24-14-21-38(56)45(61)52-36(44(60)55-42)29-34-19-12-9-13-20-34/h8-13,17-20,30-32,35-42H,7,14-16,21-29H2,1-6H3,(H,51,62)(H,52,61)(H,53,63)(H,54,59)(H,55,60)/t32-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]2CCCN2C1=O |
MNX internals
| InChI (mnx) | InChI=1/C50H70N8O8/c1-7-32(6)42-50(66)57-25-15-22-39(57)46(62)51-35(28-33-17-10-8-11-18-33)43(59)54-41(31(4)5)47(63)53-37(27-30(2)3)48(64)58-26-16-23-40(58)49(65)56-24-14-21-38(56)45(61)52-36(44(60)55-42)29-34-19-12-9-13-20-34/h8-13,17-20,30-32,35-42H,7,14-16,21-29H2,1-6H3,(H,51,62)(H,52,61)(H,53,63)(H,54,59)(H,55,60)/t32-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][C@H:32]([CH3:6])[C@H:42]1[C:50](=[O:66])[N:57]2[CH2:25][CH2:15][CH2:22][C@H:39]2[C:46]([OH:62])=[N:51][C@@H:35]([CH2:28][C:33]2=[CH:17][CH:10]=[CH:8][CH:11]=[CH:18]2)[C:43]([OH:59])=[N:54][C@@H:41]([CH:31]([CH3:4])[CH3:5])[C:47]([OH:63])=[N:53][C@@H:37]([CH2:27][CH:30]([CH3:2])[CH3:3])[C:48](=[O:64])[N:58]2[CH2:26][CH2:16][CH2:23][C@H:40]2[C:49](=[O:65])[N:56]2[CH2:24][CH2:14][CH2:21][C@H:38]2[C:45]([OH:61])=[N:52][C@@H:36]([CH2:29][C:34]2=[CH:19][CH:12]=[CH:9][CH:13]=[CH:20]2)[C:44]([OH:60])=[N:55]1 |
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